2-chloro-6-pyrrolidin-3-ylaniline

C10H13ClN2 — CID 117103718

IUPAC2-chloro-6-pyrrolidin-3-ylaniline
SMILESNc1c(Cl)cccc1C1CCNC1
InChIInChI=1S/C10H13ClN2/c11-9-3-1-2-8(10(9)12)7-4-5-13-6-7/h1-3,7,13H,4-6,12H2
InChIKeyRGUDSIYDAATEFV-UHFFFAOYSA-N
MW196.68 g/mol
LogP2.00
Rot. Bonds1

About 2-chloro-6-pyrrolidin-3-ylaniline

2-chloro-6-pyrrolidin-3-ylaniline (PubChem CID 117103718) has the molecular formula C10H13ClN2 and a molecular weight of 196.68 g/mol. Its IUPAC name is 2-chloro-6-pyrrolidin-3-ylaniline.

Molecular Properties

Compound Name2-chloro-6-pyrrolidin-3-ylaniline
PubChem CID117103718
Molecular FormulaC10H13ClN2
Molecular Weight196.68 g/mol
Exact Mass196.08
IUPAC Name2-chloro-6-pyrrolidin-3-ylaniline
SMILESNc1c(Cl)cccc1C1CCNC1
InChIInChI=1S/C10H13ClN2/c11-9-3-1-2-8(10(9)12)7-4-5-13-6-7/h1-3,7,13H,4-6,12H2
InChIKeyRGUDSIYDAATEFV-UHFFFAOYSA-N
XLogP2.00
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.68
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-3-pyrrolidin-3-ylphenol
CID 117103712
(3S)-3-(3-chloro-2-fluorophenyl)pyrrolidine
CID 131096637
2-amino-3-piperidin-4-ylphenol
CID 117103764
2-pyrrolidin-3-ylaniline;dihydrochloride
CID 139593328
3-(2,3-dichlorophenyl)piperidine
CID 24904244
3-(2-chloro-3-fluorophenyl)pyrrolidine;hydrochloride
CID 169498402
3-(2-chloro-6-methylphenyl)pyrrolidine
CID 117103928
3-(2-chloro-6-fluorophenyl)pyrrolidine;hydrochloride
CID 169498555
3-pyrrolidin-3-ylpyridin-2-amine;hydrochloride
CID 153387419
(3R)-3-(2-bromophenyl)pyrrolidine
CID 95447261
4-pyrrolidin-3-yl-1H-indole;hydrochloride
CID 169498150
2-ethyl-3-[(3R)-pyrrolidin-3-yl]phenol
CID 130691966

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-pyrrolidin-3-ylaniline?
The IUPAC name of 2-chloro-6-pyrrolidin-3-ylaniline (CID 117103718) is 2-chloro-6-pyrrolidin-3-ylaniline.
What is the SMILES notation for 2-chloro-6-pyrrolidin-3-ylaniline?
The canonical SMILES for 2-chloro-6-pyrrolidin-3-ylaniline is Nc1c(Cl)cccc1C1CCNC1.
What is the InChIKey of 2-chloro-6-pyrrolidin-3-ylaniline?
The InChIKey is RGUDSIYDAATEFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2/c11-9-3-1-2-8(10(9)12)7-4-5-13-6-7/h1-3,7,13H,4-6,12H2.
What are the key properties of 2-chloro-6-pyrrolidin-3-ylaniline?
2-chloro-6-pyrrolidin-3-ylaniline has a molecular weight of 196.68 g/mol, XLogP of 2.00, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-pyrrolidin-3-ylaniline is sourced from PubChem (CID 117103718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).